IFLAB-ZINC04249533 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -2.6680 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5410 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1020 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 -2.5820 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -3.5900 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 -3.9260 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9140 -3.1550 0.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -2.3460 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -1.1550 2.1880 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6050 -1.4310 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8480 -0.4940 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 0.2840 4.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0270 -0.5210 4.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2560 0.3600 5.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.6000 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -3.7470 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0350 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.1810 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -4.0260 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 -4.6870 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3420 -1.2440 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 -2.4620 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7190 -1.1430 4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1300 0.2670 6.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END